2-[1-(3-methylbutyl)-2-oxidanylidene-indol-3-ylidene]-3-oxidanylidene-3-piperidin-1-yl-propanenitrile

Systemtic Name: 2-[1-(3-methylbutyl)-2-oxidanylidene-indol-3-ylidene]-3-oxidanylidene-3-piperidin-1-yl-propanenitrile Openeye Name: 2-(1-isopentyl-2-oxo-indolin-3-ylidene)-3-oxo-3-(1-piperidyl)propanenitrile CAS Name: 2-[1-(3-methylbutyl)-2-oxo-3-indolylidene]-3-oxo-3-(1-piperidinyl)propanenitrile IUPAC Name: 2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile Traditional Name: 2-(1-isoamyl-2-keto-indolin-3-ylidene)-3-keto-3-piperidino-propionitrile Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(=C(C#N)C(=O)N3CCCCC3)C1=O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C(=C(C#N)C(=O)N3CCCCC3)C1=O

InChI

InChI=1S/C21H25N3O2/c1-15(2)10-13-24-18-9-5-4-8-16(18)19(21(24)26)17(14-22)20(25)23-11-6-3-7-12-23/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3